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3-BROMO-1-[2-DEOXY-5-O-(4,4'-DIMETHOXYTRIPHENYLMETHYL)-BETA-D-ERYTHRO-PENTOFURANOSYL]-4[[(DIMETHYLAMINO)-METHYLIDENE]-AMINO]-1H-PYRAZOLO-
SpectraBase Compound ID 9G27K60LuZq
InChI InChI=1S/C34H35BrN6O5/c1-40(2)21-38-32-30-31(35)39-41(33(30)37-20-36-32)29-18-27(42)28(46-29)19-45-34(22-8-6-5-7-9-22,23-10-14-25(43-3)15-11-23)24-12-16-26(44-4)17-13-24/h5-17,20-21,27-29,42H,18-19H2,1-4H3/b38-21+/t27-,28+,29+/m1/s1
InChIKey WMONWKHKPBRKLM-ZBOLRDMISA-N
Mol Weight 687.6 g/mol
Molecular Formula C34H35BrN6O5
Exact Mass 686.185231 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FiSANVbQUfX
Name 3-BROMO-1-[2-DEOXY-5-O-(4,4'-DIMETHOXYTRIPHENYLMETHYL)-BETA-D-ERYTHRO-PENTOFURANOSYL]-4[[(DIMETHYLAMINO)-METHYLIDENE]-AMINO]-1H-PYRAZOLO-
Compound Number 5A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H35BrN6O5
InChI InChI=1S/C34H35BrN6O5/c1-40(2)21-38-32-30-31(35)39-41(33(30)37-20-36-32)29-18-27(42)28(46-29)19-45-34(22-8-6-5-7-9-22,23-10-14-25(43-3)15-11-23)24-12-16-26(44-4)17-13-24/h5-17,20-21,27-29,42H,18-19H2,1-4H3/b38-21+/t27-,28+,29+/m1/s1
InChIKey WMONWKHKPBRKLM-ZBOLRDMISA-N
Literature Reference Author F.SEELA,M.ZULAUF
Literature Reference Citation J.CHEM.SOC.PERKIN-1,479(1999)
Literature Reference DOI 10.1039/a808769e
Molecular Weight 687.593 g/mol
Solvent DMSO-D6
Source File Reference UWGE3368